Subject: reported decimal accuracy in cartesian displacement vectors in G98

From: "David Magers" <[email-masked]>
Date: Tue, 14 Aug 2001 16:56:20 -0500

Greetings,
               I apologize if this question has been asked before.  I have the vague recollection that it has, 
but I could find nothing when I searched the CCL database.  Anyway, in Gaussian 98, under each frequency, 
Cartesian displacement vectors are reported for each atom, but they are only reported to two places after
the decimal.  Is there anyway to increase the reported accuracy of these numbers?  I assume I can always 
convert the checkpoint file to a formatted file, read the force constant matrix myself, and calculate these 
vectors with better accuracy, but it would be nice if Gaussian would do it for me.  Any hints would be most 
appreciated.

Thanks,
David

-------------------------------------------------------------------------------------
David H. Magers, Ph.D.         phone:601-925-3851
Mississippi College                 fax:  601-925-3933
Professor                               e-mail: [email-masked]
Department of Chemistry and Biochemistry
Box 4036
Clinton, MS 39058